Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 5/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.48 |
| ▸ | CES1 | P23141 | 5/20 | 0.48 |
| ▸ | CES2 | O00748 | 4/20 | 0.48 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.46 |
| ▸ | TP53 | P04637 | 1/20 | 0.46 |
| ▸ | GPR84 | Q9NQS5 | 7/20 | 0.43 |
| ▸ | PPARG | P37231 | 6/20 | 0.43 |
| ▸ | PPARD | Q03181 | 6/20 | 0.43 |
| ▸ | PPARA | Q07869 | 6/20 | 0.43 |
| ▸ | HDAC11 | Q96DB2 | 5/20 | 0.43 |
| ▸ | TLR2 | O60603 | 2/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.43 |
| ▸ | FABP4 | P15090 | 2/20 | 0.43 |
| ▸ | PTPN1 | P18031 | 2/20 | 0.43 |
| ▸ | SLC22A6 | Q4U2R8 | 1/20 | 0.43 |
| ▸ | SLC22A8 | Q8TCC7 | 1/20 | 0.43 |
| ▸ | MEN1 | O00255 | 1/20 | 0.43 |
| ▸ | ESR1 | P03372 | 1/20 | 0.43 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.43 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| Hexane SCHEMBL298023 | 1.00 | TSHR (0.48) | TSHRALDH1A1CES1CES2AKR1B1 | |
| Hexane SCHEMBL8671525 | 0.97 | TSHR (0.46) | TSHRALDH1A1CES1CES2AKR1B1 | |
| Hexane SCHEMBL27887625 | 0.97 | CES1 (0.48) | TSHRALDH1A1CES1CES2AKR1B1 | |
| Hexane SCHEMBL10631991 | 0.94 | AKR1B1 (0.48) | TSHRALDH1A1CES1CES2AKR1B1 | |
| Hexane SCHEMBL28598100 | 0.92 | TSHR (0.42) | TSHRALDH1A1CES1CES2AKR1B1 | |
| Hexane SCHEMBL10672351 | 0.91 | AKR1B1 (0.50) | TSHRALDH1A1CES1CES2AKR1B1 | |
| Hexane SCHEMBL10996735 | 0.89 | TSHR (0.41) | TSHRALDH1A1CES1CES2AKR1B1 | |
| Hexane SCHEMBL20521853 | 0.88 | AKR1B1 (0.48) | TSHRALDH1A1CES1CES2AKR1B1 | |
| Hexane SCHEMBL27804479 | 0.87 | TSHR (0.40) | TSHRALDH1A1CES1CES2AKR1B1 | |
| Hexane SCHEMBL3823541 | 0.87 | CES1 (0.59) | TSHRALDH1A1CES1CES2AKR1B1 |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6586617-B1 | Nontoxic microbiocides such as 4'-chloro-N-ethyl-2'-nitro-p-toluenesulfonanilide, for agricultural or horticultural, prepared by alkylation or nitration | SUMITOMO CHEMICAL TAKEDA AGRO COMPANY, LIMITED (JP) | 2003-07-01 | — | — | US | disclosed |
| EP-1174028-A1 | SULFONAMIDE DERIVATIVES | Takeda Chemical Industries, Ltd. (JP) | 2002-01-23 | — | — | EP | disclosed |